SCHEMBL335196

SCHEMBL335196

C=CCOC(=O)NC(C)C1CO1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 11/20 0.38
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20969511 0.77 TDP1 (0.39) TDP1ALDH1A1MAPT
SCHEMBL1282757 0.76 TSHR (0.45) CASP1TDP1ALDH1A1MAPT
SCHEMBL8781902 0.74 TDP1 (0.42) CASP1TDP1ALDH1A1MAPT
SCHEMBL2006527 0.74 TDP1 (0.42) CASP1TDP1ALDH1A1MAPT
SCHEMBL991835 0.73 CASP1 (0.43) CASP1TDP1ALDH1A1MAPT
SCHEMBL8869145 0.73 CASP1 (0.43) CASP1TDP1ALDH1A1MAPT
SCHEMBL10882651 0.73 CASP1 (0.43) CASP1TDP1ALDH1A1MAPT
SCHEMBL7748899 0.71 ALDH1A1 (0.37) TDP1ALDH1A1MAPT
SCHEMBL7748902 0.71 ALDH1A1 (0.37) TDP1ALDH1A1MAPT
SCHEMBL10457950 0.71 MAPT (0.41) CASP1TDP1ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 CASP1 717/4885TDP1 2672/4885ALDH1A1 1939/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.